SCHEMBL5281565

SCHEMBL5281565

CCn1nnc(C(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5280475 0.87 MAPT (0.36) MAPTPKMALDH1A1
SCHEMBL5278824 0.85 ALDH1A1 (0.35) NPC1ALDH1A1
SCHEMBL5279157 0.85 NPC1 (0.31) NPC1
SCHEMBL5278055 0.84 CNR1 (0.36) MAPTPKM
SCHEMBL5284247 0.82
SCHEMBL5280233 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5281480 0.82 CNR1 (0.40) MAPTALDH1A1
SCHEMBL5276788 0.77 NPC1 (0.30) NPC1
SCHEMBL5273432 0.77 PKM (0.39) MAPTPKMALDH1A1
SCHEMBL5284830 0.77 ALDH1A1 (0.36) MAPTNPC1PKMALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed